2-phenoxy-1-[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]ethan-1-one
Chemical Structure Depiction of
2-phenoxy-1-[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]ethan-1-one
2-phenoxy-1-[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | D116-0189 |
| Compound Name: | 2-phenoxy-1-[3-(pyridin-3-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]ethan-1-one |
| Molecular Weight: | 391.45 |
| Molecular Formula: | C20 H17 N5 O2 S |
| Smiles: | C(c1cccs1)Nc1nc(c2cccnc2)nn1C(COc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6843 |
| logD: | 2.535 |
| logSw: | -2.8127 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.735 |
| InChI Key: | ZKRMOGWKMCEXBV-UHFFFAOYSA-N |